2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide

C22H26F3NO4S — CID 135357358

IUPAC2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2ccc(C(F)(F)F)o2)CC2CCC(=O)CC2)c(C)c1
InChIInChI=1S/C22H26F3NO4S/c1-14-10-15(2)21(16(3)11-14)31(28,29)26(12-17-4-6-18(27)7-5-17)13-19-8-9-20(30-19)22(23,24)25/h8-11,17H,4-7,12-13H2,1-3H3
InChIKeyHNQAIUPIXVYOLG-UHFFFAOYSA-N
MW457.51 g/mol
LogP5.17
Rot. Bonds6

About 2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide

2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide (PubChem CID 135357358) has the molecular formula C22H26F3NO4S and a molecular weight of 457.51 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
PubChem CID135357358
Molecular FormulaC22H26F3NO4S
Molecular Weight457.51 g/mol
Exact Mass457.15
IUPAC Name2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2ccc(C(F)(F)F)o2)CC2CCC(=O)CC2)c(C)c1
InChIInChI=1S/C22H26F3NO4S/c1-14-10-15(2)21(16(3)11-14)31(28,29)26(12-17-4-6-18(27)7-5-17)13-19-8-9-20(30-19)22(23,24)25/h8-11,17H,4-7,12-13H2,1-3H3
InChIKeyHNQAIUPIXVYOLG-UHFFFAOYSA-N
XLogP5.17
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide (CID 135357358) is 2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(C(F)(F)F)o2)CC2CCC(=O)CC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide?
The InChIKey is HNQAIUPIXVYOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO4S/c1-14-10-15(2)21(16(3)11-14)31(28,29)26(12-17-4-6-18(27)7-5-17)13-19-8-9-20(30-19)22(23,24)25/h8-11,17H,4-7,12-13H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide has a molecular weight of 457.51 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(4-oxocyclohexyl)methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 135357358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).